(2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C16H13F3N2O2 — CID 134363744

IUPAC(2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CF)CC2
InChIInChI=1S/C16H13F3N2O2/c17-7-9-2-4-11-12(10-3-1-8(18)5-13(10)19)6-14(15(20)22)21-16(11)23-9/h1,3,5-6,9H,2,4,7H2,(H2,20,22)/t9-/m0/s1
InChIKeyDNJIAVYSGAYAOM-VIFPVBQESA-N
MW322.29 g/mol
LogP2.79
Rot. Bonds3

About (2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

(2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134363744) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is (2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134363744
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name(2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CF)CC2
InChIInChI=1S/C16H13F3N2O2/c17-7-9-2-4-11-12(10-3-1-8(18)5-13(10)19)6-14(15(20)22)21-16(11)23-9/h1,3,5-6,9H,2,4,7H2,(H2,20,22)/t9-/m0/s1
InChIKeyDNJIAVYSGAYAOM-VIFPVBQESA-N
XLogP2.79
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide with MolForge

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Related Compounds

Picolinafen
CID 3294375
6-[4-(4-Fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 9836230
6-[4-(4-Fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11221428
6-[4-(4-Fluorophenoxy)phenyl]-N-[2-(1-piperidinyl)ethyl]-2-pyridinecarboxamide
CID 11247128
US10335399, Example 2-5
CID 134363739
5-(2-Fluoro-4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 166461151
6-[[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carboxamide
CID 49865863
7-phenethyl-2H-pyrano[2,3-b]pyridin-4(3H)-one
CID 53318410
5-(2-fluoro-4-(111C)methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 166635452
6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56943193
6-[(1R)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56943194
4-[(1S)-1,2-dihydroxyethyl]-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
CID 56943366

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 134363744) is (2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CF)CC2.
What is the InChIKey of (2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is DNJIAVYSGAYAOM-VIFPVBQESA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-7-9-2-4-11-12(10-3-1-8(18)5-13(10)19)6-14(15(20)22)21-16(11)23-9/h1,3,5-6,9H,2,4,7H2,(H2,20,22)/t9-/m0/s1.
What are the key properties of (2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 322.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(2,4-difluorophenyl)-2-(fluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134363744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).